General Information of the Compound
| Compound ID |
CP0430003
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| Compound Name |
3-naphthalen-2-yl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
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| Structure |
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| Formula |
C17H17N3O
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| Molecular Weight |
279.343
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| Canonical SMILES |
C1CC[C@H](NC1)c1nc(no1)-c1ccc2ccccc2c1
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| InChI |
InChI=1S/C17H17N3O/c1-2-6-13-11-14(9-8-12(13)5-1)16-19-17(21-20-16)15-7-3-4-10-18-15/h1-2,5-6,8-9,11,15,18H,3-4,7,10H2/t15-/m0/s1
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| InChIKey |
XXSHTIAOVCJMCE-HNNXBMFYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound